4-chloro-1-(7-methyloctyl)benzimidazol-2-amine

C16H24ClN3 — CID 107816942

IUPAC4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCC(C)CCCCCCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H24ClN3/c1-12(2)8-5-3-4-6-11-20-14-10-7-9-13(17)15(14)19-16(20)18/h7,9-10,12H,3-6,8,11H2,1-2H3,(H2,18,19)
InChIKeyHHQAZWCKMJZHQZ-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.88
Rot. Bonds7

About 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine

4-chloro-1-(7-methyloctyl)benzimidazol-2-amine (PubChem CID 107816942) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
PubChem CID107816942
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
SMILESCC(C)CCCCCCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H24ClN3/c1-12(2)8-5-3-4-6-11-20-14-10-7-9-13(17)15(14)19-16(20)18/h7,9-10,12H,3-6,8,11H2,1-2H3,(H2,18,19)
InChIKeyHHQAZWCKMJZHQZ-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
4-chloro-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 104838543
4-chloro-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 104838544
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine (CID 107816942) is 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine is CC(C)CCCCCCn1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine?
The InChIKey is HHQAZWCKMJZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12(2)8-5-3-4-6-11-20-14-10-7-9-13(17)15(14)19-16(20)18/h7,9-10,12H,3-6,8,11H2,1-2H3,(H2,18,19).
What are the key properties of 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine?
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine has a molecular weight of 293.84 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(7-methyloctyl)benzimidazol-2-amine is sourced from PubChem (CID 107816942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).